4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H11FN2O4S — CID 16780165

IUPAC4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2F)c[nH]1
InChIInChI=1S/C12H11FN2O4S/c13-10-4-2-1-3-8(10)6-15-20(18,19)9-5-11(12(16)17)14-7-9/h1-5,7,14-15H,6H2,(H,16,17)
InChIKeyCQBRGMHYRMDIJE-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.33
Rot. Bonds5

About 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 16780165) has the molecular formula C12H11FN2O4S and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID16780165
Molecular FormulaC12H11FN2O4S
Molecular Weight298.30 g/mol
Exact Mass298.04
IUPAC Name4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2F)c[nH]1
InChIInChI=1S/C12H11FN2O4S/c13-10-4-2-1-3-8(10)6-15-20(18,19)9-5-11(12(16)17)14-7-9/h1-5,7,14-15H,6H2,(H,16,17)
InChIKeyCQBRGMHYRMDIJE-UHFFFAOYSA-N
XLogP1.33
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 16780165) is 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccccc2F)c[nH]1.
What is the InChIKey of 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is CQBRGMHYRMDIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S/c13-10-4-2-1-3-8(10)6-15-20(18,19)9-5-11(12(16)17)14-7-9/h1-5,7,14-15H,6H2,(H,16,17).
What are the key properties of 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 16780165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).